N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride

C11H13BrClNO2 — CID 115194439

IUPACN-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
SMILESCOc1c(C)c(C)c(Br)c(C)c1NC(=O)Cl
InChIInChI=1S/C11H13BrClNO2/c1-5-6(2)10(16-4)9(14-11(13)15)7(3)8(5)12/h1-4H3,(H,14,15)
InChIKeyGQSWREIFJMLYGR-UHFFFAOYSA-N
MW306.59 g/mol
LogP4.15
Rot. Bonds2

About N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride

N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride (PubChem CID 115194439) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
PubChem CID115194439
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
SMILESCOc1c(C)c(C)c(Br)c(C)c1NC(=O)Cl
InChIInChI=1S/C11H13BrClNO2/c1-5-6(2)10(16-4)9(14-11(13)15)7(3)8(5)12/h1-4H3,(H,14,15)
InChIKeyGQSWREIFJMLYGR-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
CID 115191621
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
CID 115216070
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-1-cyanoformamide
CID 115171933
5-bromo-N-(3-chloropropyl)-2-methoxy-3,4,6-trimethylaniline
CID 115215467
5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
CID 116827649
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)propanenitrile
CID 115129934
methyl 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)prop-2-enoate
CID 116843289
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-sulfanylethanone
CID 116829936
2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol
CID 115250590

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
The IUPAC name of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride (CID 115194439) is N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride.
What is the SMILES notation for N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
The canonical SMILES for N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride is COc1c(C)c(C)c(Br)c(C)c1NC(=O)Cl.
What is the InChIKey of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
The InChIKey is GQSWREIFJMLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-5-6(2)10(16-4)9(14-11(13)15)7(3)8(5)12/h1-4H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride has a molecular weight of 306.59 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride is sourced from PubChem (CID 115194439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).